N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide

C10H18N2O3 — CID 97062029

IUPACN-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOC[C@H](NC(=O)C1CCCC1)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-15-6-8(9(11)13)12-10(14)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)/t8-/m0/s1
InChIKeyCRYKHSAWYPZOSG-QMMMGPOBSA-N
MW214.26 g/mol
LogP-0.21
Rot. Bonds5

About N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 97062029) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID97062029
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOC[C@H](NC(=O)C1CCCC1)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-15-6-8(9(11)13)12-10(14)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)/t8-/m0/s1
InChIKeyCRYKHSAWYPZOSG-QMMMGPOBSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 97062029) is N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide is COC[C@H](NC(=O)C1CCCC1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is CRYKHSAWYPZOSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-6-8(9(11)13)12-10(14)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97062029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).