2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide

C10H17N3O2 — CID 106235864

IUPAC2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NCCCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-5-8(11)10(15)13-7-4-3-6-9(12)14/h1,8H,3-7,11H2,(H2,12,14)(H,13,15)
InChIKeySTDXNLRBFVGUQK-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.89
Rot. Bonds7

About 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide

2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide (PubChem CID 106235864) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
PubChem CID106235864
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NCCCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-5-8(11)10(15)13-7-4-3-6-9(12)14/h1,8H,3-7,11H2,(H2,12,14)(H,13,15)
InChIKeySTDXNLRBFVGUQK-UHFFFAOYSA-N
XLogP-0.89
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
methyl 3-(2-aminopent-4-ynoylamino)propanoate
CID 115563198
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
2-amino-N-hex-5-ynylbutanamide
CID 103950447
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193
(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
CID 107830312
4-aminododec-1-yn-5-one
CID 116606528
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide (CID 106235864) is 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide is C#CCC(N)C(=O)NCCCCC(N)=O.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide?
The InChIKey is STDXNLRBFVGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-8(11)10(15)13-7-4-3-6-9(12)14/h1,8H,3-7,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide?
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide has a molecular weight of 211.26 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide is sourced from PubChem (CID 106235864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).