2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid

C9H17N3O4 — CID 43631818

IUPAC2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-6(8(14)15)11-5-7(13)12-9(16)10-2/h6,11H,3-5H2,1-2H3,(H,14,15)(H2,10,12,13,16)
InChIKeyOLAZLZYWVILHLB-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.72
Rot. Bonds6

About 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid

2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631818) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
PubChem CID43631818
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-6(8(14)15)11-5-7(13)12-9(16)10-2/h6,11H,3-5H2,1-2H3,(H,14,15)(H2,10,12,13,16)
InChIKeyOLAZLZYWVILHLB-UHFFFAOYSA-N
XLogP-0.72
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
(2R)-2-(methylamino)pentanoic acid
CID 15677248
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
N-(methylcarbamoyl)butanamide
CID 12936929
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631799
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid (CID 43631818) is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)NC(=O)NC)C(=O)O.
What is the InChIKey of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The InChIKey is OLAZLZYWVILHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-4-6(8(14)15)11-5-7(13)12-9(16)10-2/h6,11H,3-5H2,1-2H3,(H,14,15)(H2,10,12,13,16).
What are the key properties of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).