2-amino-3-(pent-4-yn-2-ylamino)propanamide

C8H15N3O — CID 103266012

IUPAC2-amino-3-(pent-4-yn-2-ylamino)propanamide
SMILESC#CCC(C)NCC(N)C(N)=O
InChIInChI=1S/C8H15N3O/c1-3-4-6(2)11-5-7(9)8(10)12/h1,6-7,11H,4-5,9H2,2H3,(H2,10,12)
InChIKeyYCXMWPSKRXPRPT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-3-(pent-4-yn-2-ylamino)propanamide

2-amino-3-(pent-4-yn-2-ylamino)propanamide (PubChem CID 103266012) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-3-(pent-4-yn-2-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(pent-4-yn-2-ylamino)propanamide
PubChem CID103266012
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-3-(pent-4-yn-2-ylamino)propanamide
SMILESC#CCC(C)NCC(N)C(N)=O
InChIInChI=1S/C8H15N3O/c1-3-4-6(2)11-5-7(9)8(10)12/h1,6-7,11H,4-5,9H2,2H3,(H2,10,12)
InChIKeyYCXMWPSKRXPRPT-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
2-amino-3-(3-ethylpentan-2-ylamino)propanamide
CID 103250759
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
N-ethylpent-4-yn-2-amine
CID 62233889
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
3,3,3-trifluoro-N'-hydroxy-2-[(pent-4-yn-2-ylamino)methyl]propanimidamide
CID 103370179
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
2-amino-4-methylsulfonyl-N-pent-4-yn-2-ylbutanamide
CID 115976489

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pent-4-yn-2-ylamino)propanamide?
The IUPAC name of 2-amino-3-(pent-4-yn-2-ylamino)propanamide (CID 103266012) is 2-amino-3-(pent-4-yn-2-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(pent-4-yn-2-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(pent-4-yn-2-ylamino)propanamide is C#CCC(C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(pent-4-yn-2-ylamino)propanamide?
The InChIKey is YCXMWPSKRXPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-6(2)11-5-7(9)8(10)12/h1,6-7,11H,4-5,9H2,2H3,(H2,10,12).
What are the key properties of 2-amino-3-(pent-4-yn-2-ylamino)propanamide?
2-amino-3-(pent-4-yn-2-ylamino)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-4-yn-2-ylamino)propanamide is sourced from PubChem (CID 103266012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).