(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid

C7H15N3O3 — CID 46936619

IUPAC(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid
SMILESNCCC(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyZTTQHTAQUGLWNQ-YFKPBYRVSA-N
MW189.22 g/mol
LogP-1.75
Rot. Bonds6

About (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid

(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid (PubChem CID 46936619) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid
PubChem CID46936619
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Name(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid
SMILESNCCC(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyZTTQHTAQUGLWNQ-YFKPBYRVSA-N
XLogP-1.75
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid (CID 46936619) is (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid is NCCC(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid?
The InChIKey is ZTTQHTAQUGLWNQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid?
(2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid has a molecular weight of 189.22 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3-aminopropanoylamino)butanoic acid is sourced from PubChem (CID 46936619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).