(2S)-2-(4-aminobutylamino)propanoic acid

C7H16N2O2 — CID 45082347

IUPAC(2S)-2-(4-aminobutylamino)propanoic acid
SMILESC[C@H](NCCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(7(10)11)9-5-3-2-4-8/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyRDVJKDVYCKDFLF-LURJTMIESA-N
MW160.22 g/mol
LogP-0.21
Rot. Bonds6

About (2S)-2-(4-aminobutylamino)propanoic acid

(2S)-2-(4-aminobutylamino)propanoic acid (PubChem CID 45082347) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-(4-aminobutylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-aminobutylamino)propanoic acid
PubChem CID45082347
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S)-2-(4-aminobutylamino)propanoic acid
SMILESC[C@H](NCCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(7(10)11)9-5-3-2-4-8/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyRDVJKDVYCKDFLF-LURJTMIESA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(pentylamino)propanoic acid
CID 43467235
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
2-(4-aminopentylamino)propanoic acid
CID 142180855
2-(5-aminopentylamino)propanedioic acid
CID 88628628
2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminobutylamino)propanoic acid?
The IUPAC name of (2S)-2-(4-aminobutylamino)propanoic acid (CID 45082347) is (2S)-2-(4-aminobutylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(4-aminobutylamino)propanoic acid?
The canonical SMILES for (2S)-2-(4-aminobutylamino)propanoic acid is C[C@H](NCCCCN)C(=O)O.
What is the InChIKey of (2S)-2-(4-aminobutylamino)propanoic acid?
The InChIKey is RDVJKDVYCKDFLF-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(7(10)11)9-5-3-2-4-8/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-aminobutylamino)propanoic acid?
(2S)-2-(4-aminobutylamino)propanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminobutylamino)propanoic acid is sourced from PubChem (CID 45082347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).