2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid

C16H21NO5 — CID 132839013

IUPAC2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15(19)9-17(10-16(20)21)13-7-4-8-14(13)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,19)(H,20,21)/t13?,14-/m0/s1
InChIKeyZTXSWYPKHJYEEW-KZUDCZAMSA-N
MW307.35 g/mol
LogP1.60
Rot. Bonds8

About 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid

2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid (PubChem CID 132839013) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
PubChem CID132839013
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15(19)9-17(10-16(20)21)13-7-4-8-14(13)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,19)(H,20,21)/t13?,14-/m0/s1
InChIKeyZTXSWYPKHJYEEW-KZUDCZAMSA-N
XLogP1.60
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
2-[[(1S,2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026795
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid
CID 132565423
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
CID 67809766
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid (CID 132839013) is 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid?
The InChIKey is ZTXSWYPKHJYEEW-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H21NO5/c18-15(19)9-17(10-16(20)21)13-7-4-8-14(13)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,19)(H,20,21)/t13?,14-/m0/s1.
What are the key properties of 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid?
2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid is sourced from PubChem (CID 132839013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).