(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid

C7H12N2O4 — CID 137467884

IUPAC(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)O)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O4/c1-4(2-3-5(10)11)6(12)9-7(8)13/h4H,2-3H2,1H3,(H,10,11)(H3,8,9,12,13)/t4-/m1/s1
InChIKeyVMQAHANHSKLUFJ-SCSAIBSYSA-N
MW188.18 g/mol
LogP-0.32
Rot. Bonds4

About (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid

(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid (PubChem CID 137467884) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
PubChem CID137467884
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
SMILESC[C@H](CCC(=O)O)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O4/c1-4(2-3-5(10)11)6(12)9-7(8)13/h4H,2-3H2,1H3,(H,10,11)(H3,8,9,12,13)/t4-/m1/s1
InChIKeyVMQAHANHSKLUFJ-SCSAIBSYSA-N
XLogP-0.32
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
CID 139469955
(4S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-5-oxopentanoic acid
CID 170261624
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid?
The IUPAC name of (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid (CID 137467884) is (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid is C[C@H](CCC(=O)O)C(=O)NC(N)=O.
What is the InChIKey of (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid?
The InChIKey is VMQAHANHSKLUFJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(2-3-5(10)11)6(12)9-7(8)13/h4H,2-3H2,1H3,(H,10,11)(H3,8,9,12,13)/t4-/m1/s1.
What are the key properties of (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid?
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid has a molecular weight of 188.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 137467884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).