(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide

C11H16N4O2 — CID 93341134

IUPAC(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
SMILESC[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cccnc1
InChIInChI=1S/C11H16N4O2/c1-7(8-3-2-4-14-6-8)15-11(17)9(12)5-10(13)16/h2-4,6-7,9H,5,12H2,1H3,(H2,13,16)(H,15,17)/t7-,9-/m1/s1
InChIKeyOTRIWKIXQLYWKU-VXNVDRBHSA-N
MW236.28 g/mol
LogP-0.54
Rot. Bonds5

About (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide

(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide (PubChem CID 93341134) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
PubChem CID93341134
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
SMILESC[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cccnc1
InChIInChI=1S/C11H16N4O2/c1-7(8-3-2-4-14-6-8)15-11(17)9(12)5-10(13)16/h2-4,6-7,9H,5,12H2,1H3,(H2,13,16)(H,15,17)/t7-,9-/m1/s1
InChIKeyOTRIWKIXQLYWKU-VXNVDRBHSA-N
XLogP-0.54
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide?
The IUPAC name of (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide (CID 93341134) is (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide.
What is the SMILES notation for (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide?
The canonical SMILES for (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide is C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cccnc1.
What is the InChIKey of (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide?
The InChIKey is OTRIWKIXQLYWKU-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(8-3-2-4-14-6-8)15-11(17)9(12)5-10(13)16/h2-4,6-7,9H,5,12H2,1H3,(H2,13,16)(H,15,17)/t7-,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide?
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide has a molecular weight of 236.28 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide is sourced from PubChem (CID 93341134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).