3-[3-(propan-2-ylamino)propanoylamino]butanoic acid

C10H20N2O3 — CID 61160431

IUPAC3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
SMILESCC(C)NCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)11-5-4-9(13)12-8(3)6-10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRIAJEMONBABXJG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds7

About 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid

3-[3-(propan-2-ylamino)propanoylamino]butanoic acid (PubChem CID 61160431) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
PubChem CID61160431
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
SMILESCC(C)NCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)11-5-4-9(13)12-8(3)6-10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRIAJEMONBABXJG-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
3-(heptanoylamino)butanoic acid
CID 43360958
3-(pent-4-enoylamino)butanoic acid
CID 62683470
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid?
The IUPAC name of 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid (CID 61160431) is 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid.
What is the SMILES notation for 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid?
The canonical SMILES for 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid is CC(C)NCCC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid?
The InChIKey is RIAJEMONBABXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)11-5-4-9(13)12-8(3)6-10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid?
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propan-2-ylamino)propanoylamino]butanoic acid is sourced from PubChem (CID 61160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).