(2S)-2-amino-N-propylpent-4-ynamide

C8H14N2O — CID 82668022

IUPAC(2S)-2-amino-N-propylpent-4-ynamide
SMILESC#CC[C@H](N)C(=O)NCCC
InChIInChI=1S/C8H14N2O/c1-3-5-7(9)8(11)10-6-4-2/h1,7H,4-6,9H2,2H3,(H,10,11)/t7-/m0/s1
InChIKeyBOLOVDGXZOUBMM-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.14
Rot. Bonds4

About (2S)-2-amino-N-propylpent-4-ynamide

(2S)-2-amino-N-propylpent-4-ynamide (PubChem CID 82668022) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-amino-N-propylpent-4-ynamide.

Molecular Properties

Compound Name(2S)-2-amino-N-propylpent-4-ynamide
PubChem CID82668022
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2S)-2-amino-N-propylpent-4-ynamide
SMILESC#CC[C@H](N)C(=O)NCCC
InChIInChI=1S/C8H14N2O/c1-3-5-7(9)8(11)10-6-4-2/h1,7H,4-6,9H2,2H3,(H,10,11)/t7-/m0/s1
InChIKeyBOLOVDGXZOUBMM-ZETCQYMHSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.14
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

methyl 3-(2-aminopent-4-ynoylamino)propanoate
CID 115563198
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
CID 106235864
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
4-aminododec-1-yn-5-one
CID 116606528
2-amino-N-hex-5-ynylbutanamide
CID 103950447
2-amino-N-propylpropanamide;ethane
CID 142837247
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide
CID 106176289
4-amino-1-propylsulfonylhept-6-yn-3-one
CID 106736855
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
CID 106371689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-propylpent-4-ynamide?
The IUPAC name of (2S)-2-amino-N-propylpent-4-ynamide (CID 82668022) is (2S)-2-amino-N-propylpent-4-ynamide.
What is the SMILES notation for (2S)-2-amino-N-propylpent-4-ynamide?
The canonical SMILES for (2S)-2-amino-N-propylpent-4-ynamide is C#CC[C@H](N)C(=O)NCCC.
What is the InChIKey of (2S)-2-amino-N-propylpent-4-ynamide?
The InChIKey is BOLOVDGXZOUBMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-7(9)8(11)10-6-4-2/h1,7H,4-6,9H2,2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-propylpent-4-ynamide?
(2S)-2-amino-N-propylpent-4-ynamide has a molecular weight of 154.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-propylpent-4-ynamide is sourced from PubChem (CID 82668022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).