(2R)-2-amino-N-pent-3-ynylbutanamide

C9H16N2O — CID 104891645

IUPAC(2R)-2-amino-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)[C@H](N)CC
InChIInChI=1S/C9H16N2O/c1-3-5-6-7-11-9(12)8(10)4-2/h8H,4,6-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyKWIBIUKBBSORHX-MRVPVSSYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds4

About (2R)-2-amino-N-pent-3-ynylbutanamide

(2R)-2-amino-N-pent-3-ynylbutanamide (PubChem CID 104891645) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-amino-N-pent-3-ynylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-pent-3-ynylbutanamide
PubChem CID104891645
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-2-amino-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)[C@H](N)CC
InChIInChI=1S/C9H16N2O/c1-3-5-6-7-11-9(12)8(10)4-2/h8H,4,6-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyKWIBIUKBBSORHX-MRVPVSSYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-but-2-ynylbutanamide
CID 115976942
2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
2-amino-N-hex-5-ynylbutanamide
CID 103950447
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
2-chloro-N-pent-3-ynylacetamide
CID 116643290
1-methyl-3-pent-3-ynylurea
CID 116645214
methyl 3-(2-aminobutanoylamino)propanoate
CID 61252896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-pent-3-ynylbutanamide?
The IUPAC name of (2R)-2-amino-N-pent-3-ynylbutanamide (CID 104891645) is (2R)-2-amino-N-pent-3-ynylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-pent-3-ynylbutanamide?
The canonical SMILES for (2R)-2-amino-N-pent-3-ynylbutanamide is CC#CCCNC(=O)[C@H](N)CC.
What is the InChIKey of (2R)-2-amino-N-pent-3-ynylbutanamide?
The InChIKey is KWIBIUKBBSORHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-7-11-9(12)8(10)4-2/h8H,4,6-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-pent-3-ynylbutanamide?
(2R)-2-amino-N-pent-3-ynylbutanamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-pent-3-ynylbutanamide is sourced from PubChem (CID 104891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).