3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid

C15H27N5O5 — CID 21158386

IUPAC3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C(=O)N1CCOCC1)C1CC(C(=O)O)CC1NC(N)N
InChIInChI=1S/C15H27N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12,15,19H,2-7,16-17H2,1H3,(H,18,21)(H,23,24)
InChIKeySEDDCEGGHJQBED-UHFFFAOYSA-N
MW357.41 g/mol
LogP-2.38
Rot. Bonds6

About 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid

3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid (PubChem CID 21158386) has the molecular formula C15H27N5O5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid
PubChem CID21158386
Molecular FormulaC15H27N5O5
Molecular Weight357.41 g/mol
Exact Mass357.20
IUPAC Name3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(C(=O)N1CCOCC1)C1CC(C(=O)O)CC1NC(N)N
InChIInChI=1S/C15H27N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12,15,19H,2-7,16-17H2,1H3,(H,18,21)(H,23,24)
InChIKeySEDDCEGGHJQBED-UHFFFAOYSA-N
XLogP-2.38
TPSA160.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-{Acetylamino-[ethyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278605
3-(1-Acetylamino-2-oxo-2-piperidin-1-yl-ethyl)-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278609
(3S,4S)-3-(1-acetamido-2-morpholino-2-oxo-ethyl)-4-guanidino-cyclopentanecarboxylic acid
CID 5278614
3-[1-Acetylamino-2-(2-methyl-piperidin-1-yl)-2-oxo-ethyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278618
Cyclopentane Amide deriv. 16f
CID 5329066
3-[Acetylamino-(1-methoxymethyl-propylcarbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278594
3-[1-Acetylamino-2-(3-methyl-piperidin-1-yl)-2-oxo-ethyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278611
3-[1-Acetylamino-2-(3,5-dimethyl-piperidin-1-yl)-2-oxo-ethyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278613
Cyclopentane Amide deriv. 14m
CID 5329063
Cyclopentane Amide deriv. 16i
CID 5329068
3-[Acetylamino-(1-methoxy-ethylcarbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278593
3-[1-Acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]-4-(diaminomethylamino)cyclopentane-1-carboxylic acid
CID 21158358

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid (CID 21158386) is 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid is CC(=O)NC(C(=O)N1CCOCC1)C1CC(C(=O)O)CC1NC(N)N.
What is the InChIKey of 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SEDDCEGGHJQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12,15,19H,2-7,16-17H2,1H3,(H,18,21)(H,23,24).
What are the key properties of 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid?
3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of -2.38, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-2-morpholin-4-yl-2-oxoethyl)-4-(diaminomethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 21158386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).