(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid

C15H18N2O5 — CID 70234502

IUPAC(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-10(12(18)19)16-13(20)15(7-8-15)17-14(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyNAWXISFDFSQWRX-SNVBAGLBSA-N
MW306.32 g/mol
LogP1.03
Rot. Bonds6

About (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid

(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 70234502) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID70234502
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H18N2O5/c1-10(12(18)19)16-13(20)15(7-8-15)17-14(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1
InChIKeyNAWXISFDFSQWRX-SNVBAGLBSA-N
XLogP1.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
1,3-dichloropropan-2-one;2-(phenylmethoxycarbonylamino)propanoic acid
CID 20833192
ethyl 3-oxo-3-[1-(phenylmethoxycarbonylamino)cyclopropyl]propanoate
CID 134181852
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
(3S)-4-[[(1R)-1-carboxyethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 70372183
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl N-[4-(butan-2-ylcarbamoyl)-1-bicyclo[2.2.2]octanyl]carbamate
CID 141121357
methyl (2R,3R)-8-[[(2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carbonyl]amino]-2,3-dimethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101481496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid (CID 70234502) is (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid is C[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is NAWXISFDFSQWRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-10(12(18)19)16-13(20)15(7-8-15)17-14(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid?
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 306.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 70234502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).