(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid

C8H14N4O6 — CID 83114385

IUPAC(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
SMILESNC(=O)NCCNC(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N4O6/c9-7(17)10-1-2-11-8(18)12-4(6(15)16)3-5(13)14/h4H,1-3H2,(H,13,14)(H,15,16)(H3,9,10,17)(H2,11,12,18)/t4-/m1/s1
InChIKeyBSVBOQQWSNZJIH-SCSAIBSYSA-N
MW262.22 g/mol
LogP-2.12
Rot. Bonds7

About (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid

(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid (PubChem CID 83114385) has the molecular formula C8H14N4O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
PubChem CID83114385
Molecular FormulaC8H14N4O6
Molecular Weight262.22 g/mol
Exact Mass262.09
IUPAC Name(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
SMILESNC(=O)NCCNC(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N4O6/c9-7(17)10-1-2-11-8(18)12-4(6(15)16)3-5(13)14/h4H,1-3H2,(H,13,14)(H,15,16)(H3,9,10,17)(H2,11,12,18)/t4-/m1/s1
InChIKeyBSVBOQQWSNZJIH-SCSAIBSYSA-N
XLogP-2.12
TPSA170.85 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
CID 83204397
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]butanedioic acid
CID 175698479
(2S)-2-[2-[(6-(18F)fluoropyridazine-3-carbonyl)amino]ethylcarbamoylamino]butanedioic acid
CID 130432485
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 83113392
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
4-amino-2-(2-methylsulfanylethylcarbamoylamino)-4-oxobutanoic acid
CID 63957476
(2S)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]butanedioic acid
CID 104877273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid?
The IUPAC name of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid (CID 83114385) is (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid.
What is the SMILES notation for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid?
The canonical SMILES for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid is NC(=O)NCCNC(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid?
The InChIKey is BSVBOQQWSNZJIH-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H14N4O6/c9-7(17)10-1-2-11-8(18)12-4(6(15)16)3-5(13)14/h4H,1-3H2,(H,13,14)(H,15,16)(H3,9,10,17)(H2,11,12,18)/t4-/m1/s1.
What are the key properties of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid?
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid has a molecular weight of 262.22 g/mol, XLogP of -2.12, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid is sourced from PubChem (CID 83114385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).