(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide

C24H44N6O4 — CID 71159117

IUPAC(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide
SMILESCCC[C@H](NC)C(=O)N[C@@H](CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C24H44N6O4/c1-5-10-18(26-4)22(32)28-20(24(34)30-15-8-9-16-30)12-11-19(27-21(31)17(2)25-3)23(33)29-13-6-7-14-29/h17-20,25-26H,5-16H2,1-4H3,(H,27,31)(H,28,32)/t17-,18-,19-,20-/m0/s1
InChIKeyZKLJYXRPZYZPKC-MUGJNUQGSA-N
MW480.65 g/mol
LogP-0.02
Rot. Bonds13

About (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide

(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide (PubChem CID 71159117) has the molecular formula C24H44N6O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide
PubChem CID71159117
Molecular FormulaC24H44N6O4
Molecular Weight480.65 g/mol
Exact Mass480.34
IUPAC Name(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide
SMILESCCC[C@H](NC)C(=O)N[C@@H](CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C24H44N6O4/c1-5-10-18(26-4)22(32)28-20(24(34)30-15-8-9-16-30)12-11-19(27-21(31)17(2)25-3)23(33)29-13-6-7-14-29/h17-20,25-26H,5-16H2,1-4H3,(H,27,31)(H,28,32)/t17-,18-,19-,20-/m0/s1
InChIKeyZKLJYXRPZYZPKC-MUGJNUQGSA-N
XLogP-0.02
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide with MolForge

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Related Compounds

(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
CID 166777670
(2S)-N-[3,4-dioxo-4-(propylamino)butan-2-yl]-2-(methylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 59968590
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide (CID 71159117) is (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide is CCC[C@H](NC)C(=O)N[C@@H](CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCCC1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide?
The InChIKey is ZKLJYXRPZYZPKC-MUGJNUQGSA-N. The full InChI is InChI=1S/C24H44N6O4/c1-5-10-18(26-4)22(32)28-20(24(34)30-15-8-9-16-30)12-11-19(27-21(31)17(2)25-3)23(33)29-13-6-7-14-29/h17-20,25-26H,5-16H2,1-4H3,(H,27,31)(H,28,32)/t17-,18-,19-,20-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide?
(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide has a molecular weight of 480.65 g/mol, XLogP of -0.02, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide is sourced from PubChem (CID 71159117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).