(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid

C10H17N3O6 — CID 114167574

IUPAC(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
SMILESCC(C)(CNC(=O)N[C@H](CC(=O)O)C(=O)O)C(N)=O
InChIInChI=1S/C10H17N3O6/c1-10(2,8(11)18)4-12-9(19)13-5(7(16)17)3-6(14)15/h5H,3-4H2,1-2H3,(H2,11,18)(H,14,15)(H,16,17)(H2,12,13,19)/t5-/m1/s1
InChIKeyKFNFDOAWJVHMLN-RXMQYKEDSA-N
MW275.26 g/mol
LogP-1.27
Rot. Bonds7

About (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid

(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid (PubChem CID 114167574) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
PubChem CID114167574
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
SMILESCC(C)(CNC(=O)N[C@H](CC(=O)O)C(=O)O)C(N)=O
InChIInChI=1S/C10H17N3O6/c1-10(2,8(11)18)4-12-9(19)13-5(7(16)17)3-6(14)15/h5H,3-4H2,1-2H3,(H2,11,18)(H,14,15)(H,16,17)(H2,12,13,19)/t5-/m1/s1
InChIKeyKFNFDOAWJVHMLN-RXMQYKEDSA-N
XLogP-1.27
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
CID 106279378
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
CID 106279260
(2S)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]pentanoic acid
CID 114167594
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
CID 83114385
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
CID 83204397
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 106279290
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
CID 63859891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid?
The IUPAC name of (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid (CID 114167574) is (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid?
The canonical SMILES for (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid is CC(C)(CNC(=O)N[C@H](CC(=O)O)C(=O)O)C(N)=O.
What is the InChIKey of (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid?
The InChIKey is KFNFDOAWJVHMLN-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-10(2,8(11)18)4-12-9(19)13-5(7(16)17)3-6(14)15/h5H,3-4H2,1-2H3,(H2,11,18)(H,14,15)(H,16,17)(H2,12,13,19)/t5-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid?
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid has a molecular weight of 275.26 g/mol, XLogP of -1.27, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid is sourced from PubChem (CID 114167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).