2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid

C11H22N2O3 — CID 64667377

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
SMILESCCC(C)NC(=O)CCNC(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-8(3)13-10(14)6-7-12-9(5-2)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUPCVPWCLRPXQRM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.74
Rot. Bonds8

About 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid (PubChem CID 64667377) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
PubChem CID64667377
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
SMILESCCC(C)NC(=O)CCNC(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-8(3)13-10(14)6-7-12-9(5-2)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUPCVPWCLRPXQRM-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
(2R)-2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910188
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid (CID 64667377) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid is CCC(C)NC(=O)CCNC(CC)C(=O)O.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid?
The InChIKey is UPCVPWCLRPXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-8(3)13-10(14)6-7-12-9(5-2)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid?
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid is sourced from PubChem (CID 64667377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).