(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid

C9H19N3O3 — CID 103927689

IUPAC(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6(7(13)14)12-8(15)11-5-4-10/h6H,4-5,10H2,1-3H3,(H,13,14)(H2,11,12,15)/t6-/m0/s1
InChIKeyIHSCNJUYPMDNKI-LURJTMIESA-N
MW217.27 g/mol
LogP-0.26
Rot. Bonds4

About (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid

(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 103927689) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID103927689
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6(7(13)14)12-8(15)11-5-4-10/h6H,4-5,10H2,1-3H3,(H,13,14)(H2,11,12,15)/t6-/m0/s1
InChIKeyIHSCNJUYPMDNKI-LURJTMIESA-N
XLogP-0.26
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2S)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114162518
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-3,3-dimethyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 63960155
(2S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 83112727
(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
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 103927689) is (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)NCCN)C(=O)O.
What is the InChIKey of (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is IHSCNJUYPMDNKI-LURJTMIESA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,3)6(7(13)14)12-8(15)11-5-4-10/h6H,4-5,10H2,1-3H3,(H,13,14)(H2,11,12,15)/t6-/m0/s1.
What are the key properties of (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid?
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).