3-(2,2-diaminobutanoylamino)propanoic acid

C7H15N3O3 — CID 19365664

IUPAC3-(2,2-diaminobutanoylamino)propanoic acid
SMILESCCC(N)(N)C(=O)NCCC(=O)O
InChIInChI=1S/C7H15N3O3/c1-2-7(8,9)6(13)10-4-3-5(11)12/h2-4,8-9H2,1H3,(H,10,13)(H,11,12)
InChIKeyFPQLKWNDJIKXOY-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.40
Rot. Bonds5

About 3-(2,2-diaminobutanoylamino)propanoic acid

3-(2,2-diaminobutanoylamino)propanoic acid (PubChem CID 19365664) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2,2-diaminobutanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,2-diaminobutanoylamino)propanoic acid
PubChem CID19365664
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name3-(2,2-diaminobutanoylamino)propanoic acid
SMILESCCC(N)(N)C(=O)NCCC(=O)O
InChIInChI=1S/C7H15N3O3/c1-2-7(8,9)6(13)10-4-3-5(11)12/h2-4,8-9H2,1H3,(H,10,13)(H,11,12)
InChIKeyFPQLKWNDJIKXOY-UHFFFAOYSA-N
XLogP-1.40
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[(2-amino-2-methylbutanoyl)amino]-4-ethylhexanoic acid
CID 79810581
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957
6-[(3-amino-2,2-dimethylpropanoyl)amino]-4-ethylhexanoic acid
CID 113307665
4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 79811017
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
3-[(2-ethylsulfanylacetyl)amino]propanoic acid
CID 117126618
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-methylbutanamide
CID 79797030
3-[bis(2,2-dimethylpropyl)carbamoylamino]propanoic acid
CID 122017989

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diaminobutanoylamino)propanoic acid?
The IUPAC name of 3-(2,2-diaminobutanoylamino)propanoic acid (CID 19365664) is 3-(2,2-diaminobutanoylamino)propanoic acid.
What is the SMILES notation for 3-(2,2-diaminobutanoylamino)propanoic acid?
The canonical SMILES for 3-(2,2-diaminobutanoylamino)propanoic acid is CCC(N)(N)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2,2-diaminobutanoylamino)propanoic acid?
The InChIKey is FPQLKWNDJIKXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-2-7(8,9)6(13)10-4-3-5(11)12/h2-4,8-9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-(2,2-diaminobutanoylamino)propanoic acid?
3-(2,2-diaminobutanoylamino)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diaminobutanoylamino)propanoic acid is sourced from PubChem (CID 19365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).