2-amino-3-(pent-3-ynylamino)propanamide

C8H15N3O — CID 103266574

IUPAC2-amino-3-(pent-3-ynylamino)propanamide
SMILESCC#CCCNCC(N)C(N)=O
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-11-6-7(9)8(10)12/h7,11H,4-6,9H2,1H3,(H2,10,12)
InChIKeyQVANRDKLYHRWGN-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-3-(pent-3-ynylamino)propanamide

2-amino-3-(pent-3-ynylamino)propanamide (PubChem CID 103266574) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-3-(pent-3-ynylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(pent-3-ynylamino)propanamide
PubChem CID103266574
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-3-(pent-3-ynylamino)propanamide
SMILESCC#CCCNCC(N)C(N)=O
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-11-6-7(9)8(10)12/h7,11H,4-6,9H2,1H3,(H2,10,12)
InChIKeyQVANRDKLYHRWGN-UHFFFAOYSA-N
XLogP-1.20
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.20
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

(2R)-2-aminohept-5-ynamide
CID 55284059
2-amino-3-(butylamino)propanamide
CID 103232681
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023
2-(pent-3-ynylamino)acetic acid
CID 104808695
2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pent-3-ynylamino)propanamide?
The IUPAC name of 2-amino-3-(pent-3-ynylamino)propanamide (CID 103266574) is 2-amino-3-(pent-3-ynylamino)propanamide.
What is the SMILES notation for 2-amino-3-(pent-3-ynylamino)propanamide?
The canonical SMILES for 2-amino-3-(pent-3-ynylamino)propanamide is CC#CCCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(pent-3-ynylamino)propanamide?
The InChIKey is QVANRDKLYHRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-5-11-6-7(9)8(10)12/h7,11H,4-6,9H2,1H3,(H2,10,12).
What are the key properties of 2-amino-3-(pent-3-ynylamino)propanamide?
2-amino-3-(pent-3-ynylamino)propanamide has a molecular weight of 169.23 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(pent-3-ynylamino)propanamide is sourced from PubChem (CID 103266574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).