2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid

C10H19N3O4 — CID 43631933

IUPAC2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)12-6(2)8(14)13-10(17)11-3/h6-7,12H,4-5H2,1-3H3,(H,15,16)(H2,11,13,14,17)
InChIKeyZFHRWQUNPVZETP-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.33
Rot. Bonds6

About 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid

2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid (PubChem CID 43631933) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
PubChem CID43631933
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)12-6(2)8(14)13-10(17)11-3/h6-7,12H,4-5H2,1-3H3,(H,15,16)(H2,11,13,14,17)
InChIKeyZFHRWQUNPVZETP-UHFFFAOYSA-N
XLogP-0.33
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631818
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
(2R)-2-(methylamino)pentanoic acid
CID 15677248
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
CID 103577847
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid (CID 43631933) is 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid is CCCC(NC(C)C(=O)NC(=O)NC)C(=O)O.
What is the InChIKey of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The InChIKey is ZFHRWQUNPVZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-5-7(9(15)16)12-6(2)8(14)13-10(17)11-3/h6-7,12H,4-5H2,1-3H3,(H,15,16)(H2,11,13,14,17).
What are the key properties of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 43631933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).