2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid

C10H18N2O4 — CID 87170978

IUPAC2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid
SMILESCCC(=O)NCC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-7(10(15)16)5-11-9(14)6-12-8(13)4-2/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyDPYJVVYEPLPUPY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds7

About 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid

2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid (PubChem CID 87170978) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid
PubChem CID87170978
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid
SMILESCCC(=O)NCC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-7(10(15)16)5-11-9(14)6-12-8(13)4-2/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyDPYJVVYEPLPUPY-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ala-Val
CID 96799
Val-Ala
CID 6992638
L-Valyl-L-valine
CID 107475
Val-Asp
CID 7009608
Asparaginylvaline
CID 18218188
Glycyl-alanyl-valine
CID 129439
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid
CID 44301469
2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 235009
(S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid
CID 644194
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-3-methylbutanoic acid
CID 11949372
DL-Ala-DL-Val
CID 137276
2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid
CID 334517

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid (CID 87170978) is 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid is CCC(=O)NCC(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid?
The InChIKey is DPYJVVYEPLPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-7(10(15)16)5-11-9(14)6-12-8(13)4-2/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid?
2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(propanoylamino)acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 87170978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).