(2R)-2-aminohept-5-ynamide

C7H12N2O — CID 55284059

IUPAC(2R)-2-aminohept-5-ynamide
SMILESCC#CCC[C@@H](N)C(N)=O
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-6(8)7(9)10/h6H,4-5,8H2,1H3,(H2,9,10)/t6-/m1/s1
InChIKeyFMWKERCMVKCIJN-ZCFIWIBFSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds3

About (2R)-2-aminohept-5-ynamide

(2R)-2-aminohept-5-ynamide (PubChem CID 55284059) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2R)-2-aminohept-5-ynamide.

Molecular Properties

Compound Name(2R)-2-aminohept-5-ynamide
PubChem CID55284059
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2R)-2-aminohept-5-ynamide
SMILESCC#CCC[C@@H](N)C(N)=O
InChIInChI=1S/C7H12N2O/c1-2-3-4-5-6(8)7(9)10/h6H,4-5,8H2,1H3,(H2,9,10)/t6-/m1/s1
InChIKeyFMWKERCMVKCIJN-ZCFIWIBFSA-N
XLogP-0.40
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
2-aminodec-8-yn-5-one
CID 116571844
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
2-(but-2-ynylamino)propanamide
CID 62311148
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
8-aminoundec-2-yn-6-one
CID 116608034
2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107771805
11-amino-7-methyldodec-2-yn-6-one
CID 116574387
pent-3-ynyl 2-methylpropanoate
CID 88800531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminohept-5-ynamide?
The IUPAC name of (2R)-2-aminohept-5-ynamide (CID 55284059) is (2R)-2-aminohept-5-ynamide.
What is the SMILES notation for (2R)-2-aminohept-5-ynamide?
The canonical SMILES for (2R)-2-aminohept-5-ynamide is CC#CCC[C@@H](N)C(N)=O.
What is the InChIKey of (2R)-2-aminohept-5-ynamide?
The InChIKey is FMWKERCMVKCIJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-5-6(8)7(9)10/h6H,4-5,8H2,1H3,(H2,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-aminohept-5-ynamide?
(2R)-2-aminohept-5-ynamide has a molecular weight of 140.19 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminohept-5-ynamide is sourced from PubChem (CID 55284059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).