(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid

C10H20N4O4 — CID 103928257

IUPAC(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O4/c1-10(2,3)6(7(15)16)14-9(18)13-5-4-12-8(11)17/h6H,4-5H2,1-3H3,(H,15,16)(H3,11,12,17)(H2,13,14,18)/t6-/m0/s1
InChIKeyPJDJKCQBOQZNOP-LURJTMIESA-N
MW260.29 g/mol
LogP-0.55
Rot. Bonds5

About (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103928257) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID103928257
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O4/c1-10(2,3)6(7(15)16)14-9(18)13-5-4-12-8(11)17/h6H,4-5H2,1-3H3,(H,15,16)(H3,11,12,17)(H2,13,14,18)/t6-/m0/s1
InChIKeyPJDJKCQBOQZNOP-LURJTMIESA-N
XLogP-0.55
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2S)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114162518
(2S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 83112727
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-3,3-dimethyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 63960155
(2R)-3,3-dimethyl-2-(5-methylhexylcarbamoylamino)butanoic acid
CID 103928213
(2S)-2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103996460
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927895
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340640
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid (CID 103928257) is (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)NCCNC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is PJDJKCQBOQZNOP-LURJTMIESA-N. The full InChI is InChI=1S/C10H20N4O4/c1-10(2,3)6(7(15)16)14-9(18)13-5-4-12-8(11)17/h6H,4-5H2,1-3H3,(H,15,16)(H3,11,12,17)(H2,13,14,18)/t6-/m0/s1.
What are the key properties of (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.55, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103928257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).