(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide

C13H24N4O3 — CID 82962535

IUPAC(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H24N4O3/c1-8(2)12(14)13(20)15-6-11(19)17(3)7-10(18)16-9-4-5-9/h8-9,12H,4-7,14H2,1-3H3,(H,15,20)(H,16,18)/t12-/m0/s1
InChIKeyVONGSTVABCRBOX-LBPRGKRZSA-N
MW284.36 g/mol
LogP-1.18
Rot. Bonds7

About (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962535) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82962535
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H24N4O3/c1-8(2)12(14)13(20)15-6-11(19)17(3)7-10(18)16-9-4-5-9/h8-9,12H,4-7,14H2,1-3H3,(H,15,20)(H,16,18)/t12-/m0/s1
InChIKeyVONGSTVABCRBOX-LBPRGKRZSA-N
XLogP-1.18
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
(2S)-2-amino-3-methyl-N-[2-[methyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]butanamide
CID 82961613
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82964218
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide (CID 82962535) is (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is VONGSTVABCRBOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-8(2)12(14)13(20)15-6-11(19)17(3)7-10(18)16-9-4-5-9/h8-9,12H,4-7,14H2,1-3H3,(H,15,20)(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 284.36 g/mol, XLogP of -1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).