(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide

C10H19N5O — CID 104903965

IUPAC(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCn1ccnn1
InChIInChI=1S/C10H19N5O/c1-8(2)7-9(11)10(16)12-3-5-15-6-4-13-14-15/h4,6,8-9H,3,5,7,11H2,1-2H3,(H,12,16)/t9-/m1/s1
InChIKeyPDGKXGAHCVIVBC-SECBINFHSA-N
MW225.30 g/mol
LogP-0.23
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide

(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide (PubChem CID 104903965) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
PubChem CID104903965
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCn1ccnn1
InChIInChI=1S/C10H19N5O/c1-8(2)7-9(11)10(16)12-3-5-15-6-4-13-14-15/h4,6,8-9H,3,5,7,11H2,1-2H3,(H,12,16)/t9-/m1/s1
InChIKeyPDGKXGAHCVIVBC-SECBINFHSA-N
XLogP-0.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[2-(triazol-1-yl)ethylcarbamoylamino]pentanoic acid
CID 113413075
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122557943
(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
CID 103263505
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 114350714
4,4-dimethyl-2-[[2-(triazol-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474623
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 107828886
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide (CID 104903965) is (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide is CC(C)C[C@@H](N)C(=O)NCCn1ccnn1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide?
The InChIKey is PDGKXGAHCVIVBC-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)7-9(11)10(16)12-3-5-15-6-4-13-14-15/h4,6,8-9H,3,5,7,11H2,1-2H3,(H,12,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide has a molecular weight of 225.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide is sourced from PubChem (CID 104903965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).