N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide

C14H25N3O3 — CID 90674949

IUPACN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCC1)C(=O)NCC(N)=O
InChIInChI=1S/C14H25N3O3/c1-9(2)7-11(14(20)16-8-12(15)18)17-13(19)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)/t11-/m0/s1
InChIKeyBQHZNDPTDUZPQM-NSHDSACASA-N
MW283.37 g/mol
LogP0.31
Rot. Bonds7

About N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide (PubChem CID 90674949) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
PubChem CID90674949
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCC1)C(=O)NCC(N)=O
InChIInChI=1S/C14H25N3O3/c1-9(2)7-11(14(20)16-8-12(15)18)17-13(19)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)/t11-/m0/s1
InChIKeyBQHZNDPTDUZPQM-NSHDSACASA-N
XLogP0.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide (CID 90674949) is N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide is CC(C)C[C@H](NC(=O)C1CCCC1)C(=O)NCC(N)=O.
What is the InChIKey of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
The InChIKey is BQHZNDPTDUZPQM-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)7-11(14(20)16-8-12(15)18)17-13(19)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 90674949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).