2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid

C9H14N2O5 — CID 18343195

IUPAC2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1C(C(=O)O)C1C(N)C(=O)O
InChIInChI=1S/C9H14N2O5/c1-3(12)11-2-4-5(6(4)8(13)14)7(10)9(15)16/h4-7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyQPGVXXFBQMVSGM-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.52
Rot. Bonds5

About 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid

2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid (PubChem CID 18343195) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID18343195
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1C(C(=O)O)C1C(N)C(=O)O
InChIInChI=1S/C9H14N2O5/c1-3(12)11-2-4-5(6(4)8(13)14)7(10)9(15)16/h4-7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyQPGVXXFBQMVSGM-UHFFFAOYSA-N
XLogP-1.52
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44568312
(2S,4R)-2-amino-4-[3-oxo-3-(prop-2-ynylamino)propyl]pentanedioic acid
CID 71574743
(2S,4R)-2-amino-4-[3-(diethylamino)-3-oxopropyl]pentanedioic acid
CID 71574746
(2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid
CID 24905648
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CID 169220636
[(1S,3R)-1,3-dicarboxy-6-(methylamino)-6-oxohexyl]azanium
CID 117072005
rac-(1R,2R)-2-[1-(trifluoroacetamido)ethyl]cyclopropane-1-carboxylic acid
CID 165918010
(1R,2R,3S)-2-[(R)-amino(carboxy)methyl]-3-[(ethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 9965057
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CID 12046152
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Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid (CID 18343195) is 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid is CC(=O)NCC1C(C(=O)O)C1C(N)C(=O)O.
What is the InChIKey of 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QPGVXXFBQMVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-3(12)11-2-4-5(6(4)8(13)14)7(10)9(15)16/h4-7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-3-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18343195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).