(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

C11H20N2O3 — CID 103927172

IUPAC(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1(CN)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)7(8(14)15)13-9(16)11(6-12)4-5-11/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7-/m0/s1
InChIKeyMQXGMRWOWOEVGN-ZETCQYMHSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927172) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927172
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1(CN)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)7(8(14)15)13-9(16)11(6-12)4-5-11/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7-/m0/s1
InChIKeyMQXGMRWOWOEVGN-ZETCQYMHSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-3-methylbutanoic acid
CID 11949372
(2R)-2-acetamido-3,3-dimethylbutanoic acid
CID 11206053
(2S)-2-acetamido-3,3-dimethylbutanoic acid
CID 11469346
beta-Alanyl-L-valine
CID 6993148
N-(3-Amino-3-oxopropyl)-L-valine
CID 53709010
(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 11253201
N-(3-Methylbutanoyl)-L-valine
CID 14719968
2-Acetamido-3,3-dimethylbutanoic acid
CID 16227478
2-(Cyclopropylformamido)-3-methylbutanoic acid
CID 16775373
2-[(3-Amino-3-oxopropyl)amino]-3-methylbutanoic acid
CID 23147649
(S)-2-(2-Aminoacetamido)-3,3-dimethylbutanoic acid
CID 61160757
(S)-2-((S)-2-amino-3,3-dimethylbutanamido)-3,3-dimethylbutanoic acid
CID 61161897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid (CID 103927172) is (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)C1(CN)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is MQXGMRWOWOEVGN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)7(8(14)15)13-9(16)11(6-12)4-5-11/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7-/m0/s1.
What are the key properties of (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).