3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid

C9H18N2O3 — CID 61160050

IUPAC3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
SMILESCC(C)NCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)10-5-8(12)11-7(3)4-9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyYXXGQCTUBHYXMZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.04
Rot. Bonds6

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

3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid (PubChem CID 61160050) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
PubChem CID61160050
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
SMILESCC(C)NCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)10-5-8(12)11-7(3)4-9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyYXXGQCTUBHYXMZ-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
3-methyl-4-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 81072242
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid (CID 61160050) is 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid is CC(C)NCC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The InChIKey is YXXGQCTUBHYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)10-5-8(12)11-7(3)4-9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 61160050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).