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

C7H17N3O2 — CID 70678631

IUPAC(2S)-2-amino-4-(3-aminopropylamino)butanoic acid
SMILESNCCCNCC[C@H](N)C(=O)O
InChIInChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/t6-/m0/s1
InChIKeyKFJYMJZJSUORBX-LURJTMIESA-N
MW175.23 g/mol
LogP-1.27
Rot. Bonds7

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

(2S)-2-amino-4-(3-aminopropylamino)butanoic acid (PubChem CID 70678631) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(3-aminopropylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3-aminopropylamino)butanoic acid
PubChem CID70678631
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name(2S)-2-amino-4-(3-aminopropylamino)butanoic acid
SMILESNCCCNCC[C@H](N)C(=O)O
InChIInChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/t6-/m0/s1
InChIKeyKFJYMJZJSUORBX-LURJTMIESA-N
XLogP-1.27
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3-aminopropylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3-aminopropylamino)butanoic acid (CID 70678631) is (2S)-2-amino-4-(3-aminopropylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3-aminopropylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3-aminopropylamino)butanoic acid is NCCCNCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(3-aminopropylamino)butanoic acid?
The InChIKey is KFJYMJZJSUORBX-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3-aminopropylamino)butanoic acid?
(2S)-2-amino-4-(3-aminopropylamino)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of -1.27, 7 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-aminopropylamino)butanoic acid is sourced from PubChem (CID 70678631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).