(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

C19H37N5O3 — CID 57341082

IUPAC(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@@H](NCC(N)=O)C1
InChIInChI=1S/C19H37N5O3/c1-12(2)8-15(20)18(26)23-16(9-13(3)4)19(27)24-7-5-6-14(11-24)22-10-17(21)25/h12-16,22H,5-11,20H2,1-4H3,(H2,21,25)(H,23,26)/t14-,15+,16+/m1/s1
InChIKeyNPNVBNQAFUBNRX-PMPSAXMXSA-N
MW383.54 g/mol
LogP-0.04
Rot. Bonds10

About (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide (PubChem CID 57341082) has the molecular formula C19H37N5O3 and a molecular weight of 383.54 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
PubChem CID57341082
Molecular FormulaC19H37N5O3
Molecular Weight383.54 g/mol
Exact Mass383.29
IUPAC Name(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@@H](NCC(N)=O)C1
InChIInChI=1S/C19H37N5O3/c1-12(2)8-15(20)18(26)23-16(9-13(3)4)19(27)24-7-5-6-14(11-24)22-10-17(21)25/h12-16,22H,5-11,20H2,1-4H3,(H2,21,25)(H,23,26)/t14-,15+,16+/m1/s1
InChIKeyNPNVBNQAFUBNRX-PMPSAXMXSA-N
XLogP-0.04
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide (CID 57341082) is (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide is CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@@H](NCC(N)=O)C1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?
The InChIKey is NPNVBNQAFUBNRX-PMPSAXMXSA-N. The full InChI is InChI=1S/C19H37N5O3/c1-12(2)8-15(20)18(26)23-16(9-13(3)4)19(27)24-7-5-6-14(11-24)22-10-17(21)25/h12-16,22H,5-11,20H2,1-4H3,(H2,21,25)(H,23,26)/t14-,15+,16+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide has a molecular weight of 383.54 g/mol, XLogP of -0.04, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 57341082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).